| SpectraBase Spectrum ID |
HY9ewkZDOLU |
| Name |
2,4-bis-(4-Chlorophenyl)-2,3-dihydro-2,8-dimethyl-1H-1,5-benzodiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.100354052 u |
| Formula |
C23H20Cl2N2 |
| InChI |
InChI=1S/C23H20Cl2N2/c1-15-3-12-20-21(13-15)27-23(2,17-6-10-19(25)11-7-17)14-22(26-20)16-4-8-18(24)9-5-16/h3-13,27H,14H2,1-2H3 |
| InChIKey |
ZXZLXDFJYJQTKJ-UHFFFAOYSA-N |
| Molecular Weight |
395.333 g/mol |
| SMILES |
C1=2NC(CC(=NC1=CC=C(C2)C)C1=CC=C(Cl)C=C1)(C)C1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886699 |
